4-[[3-methoxy-4-(4-methylsulfonylphenyl)phenoxy]methyl]-2-propan-2-yl-piperidine-1-carboxylic acid

Systemtic Name: 4-[[3-methoxy-4-(4-methylsulfonylphenyl)phenoxy]methyl]-2-propan-2-yl-piperidine-1-carboxylic acid Openeye Name: 2-isopropyl-4-[[3-methoxy-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[3-methoxy-4-(4-methylsulfonylphenyl)phenoxy]methyl]-2-propan-2-yl-1-piperidinecarboxylic acid IUPAC Name: 4-[[3-methoxy-4-(4-methylsulfonylphenyl)phenoxy]methyl]-2-propan-2-ylpiperidine-1-carboxylic acid Traditional Name: 2-isopropyl-4-[[4-(4-mesylphenyl)-3-methoxy-phenoxy]methyl]piperidine-1-carboxylic acid Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CCN1C(=O)O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)C1CC(CCN1C(=O)O)COC2=CC(=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C24H31NO6S/c1-16(2)22-13-17(11-12-25(22)24(26)27)15-31-19-7-10-21(23(14-19)30-3)18-5-8-20(9-6-18)32(4,28)29/h5-10,14,16-17,22H,11-13,15H2,1-4H3,(H,26,27)